SCHEMBL10765191

SCHEMBL10765191

COc1cc([S+](C)[O-])ccc1C=Cc1ccc(=O)[nH]n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.62
▸ PTGS1 P23219 3/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ LMNA P02545 4/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ CYP1A2 P05177 6/20 0.42
▸ HPGD P15428 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ PDE4D Q08499 3/20 0.38
▸ CYP1A1 P04798 3/20 0.36
▸ CYP1B1 Q16678 3/20 0.36
▸ HTR2A P28223 1/20 0.35
▸ HTR2C P28335 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10765185 1.00 PTGS2 (0.62) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10761028 0.91 PTGS1 (0.62) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10761034 0.91 PTGS1 (0.62) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10763713 0.83 PTGS2 (0.58) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10763719 0.83 PTGS2 (0.58) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10761931 0.81 PTGS1 (0.69) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10761927 0.81 PTGS1 (0.69) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10760555 0.80 PTGS1 (0.63) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10760552 0.80 PTGS1 (0.63) PTGS2PTGS1SMN1; SMN2LMNANPC1
SCHEMBL10767389 0.79 PTGS2 (0.56) PTGS2PTGS1SMN1; SMN2LMNANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210530-A1 6-Arylalkenyl pyridazinones MERCK PATENT GmbH (DE) 1987-02-04 — — EP disclosed
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